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Quantum Fourier Transform (QFT) plays a principal role in the development of efficient quantum algorithms. Since the number of quantum bits that can currently built is limited, while many quantum technologies are inherently three- (or more)…

Quantum Physics · Physics 2007-05-23 Zeljko Zilic , Katarzyna Radecka

Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…

Chemical Physics · Physics 2025-09-10 Siu Wun Cheung , Youngsoo Choi , Jean-Luc Fattebert , Daniel Osei-Kuffuor

Given a quantum Hamiltonian and its evolution time, the corresponding unitary evolution operator can be constructed in many different ways, corresponding to different trajectories between the desired end-points and different series…

Quantum Physics · Physics 2017-03-14 Apoorva Patel , Anjani Priyadarsini

Fidelity is a fundamental measure for the closeness of two quantum states, which is important both from a theoretical and a practical point of view. Yet, in general, it is difficult to give good estimates of fidelity, especially when one…

Quantum Physics · Physics 2022-03-31 András Gilyén , Alexander Poremba

Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…

We propose a variational alternative to the Trotter-Suzuki decomposition that provides greater control over errors while preserving the unitary structure of time evolution. The variational parameters in our ansatz are derived from a global…

Quantum Physics · Physics 2025-11-20 Ibsal Assi , Michael Vogl , Meenu Kumari , J. P. F. LeBlanc

Conventional approaches to fault-tolerant quantum computing realize logical circuits gate-by-gate, synthesizing each gate independently on one or more code blocks. This incurs excess overhead and doesn't leverage common structures in…

Quantum Physics · Physics 2026-02-02 Zhuangzhuang Chen , Jack Owen Weinberg , Narayanan Rengaswamy

Recent research has demonstrated that quantum computers can solve certain types of problems substantially faster than the known classical algorithms. These problems include factoring integers and certain physics simulations. Practical…

Quantum Physics · Physics 2009-10-30 Emanuel Knill , Raymond Laflamme , Wojciech H. Zurek

A Quantum Computer is a new type of computer which can efficiently solve complex problems such as prime factorization. A quantum computer threatens the security of public key encryption systems because these systems rely on the fact that…

Quantum Physics · Physics 2007-05-23 Kevin M. Obenland , Alvin M. Despain

The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…

Quantum Physics · Physics 2022-11-10 David Headley , Thorge Müller , Ana Martin , Enrique Solano , Mikel Sanz , Frank K. Wilhelm

High-dimensional fractional reaction-diffusion equations have numerous applications in the fields of biology, chemistry, and physics, and exhibit a range of rich phenomena. While classical algorithms have an exponential complexity in the…

Quantum Physics · Physics 2026-01-21 Dong An , Konstantina Trivisa

Many computer vision applications need to recover structure from imperfect measurements of the real world. The task is often solved by robustly fitting a geometric model onto noisy and outlier-contaminated data. However, recent theoretical…

Computer Vision and Pattern Recognition · Computer Science 2020-10-12 Tat-Jun Chin , David Suter , Shin-Fang Chng , James Quach

We describe a method to simulate Hamiltonian evolution on a quantum computer by repeatedly using a superposition of steps of a quantum walk, then applying a correction to the weightings for the numbers of steps of the quantum walk. This…

Quantum Physics · Physics 2017-02-15 Dominic W. Berry , Leonardo Novo

Quantum simulation is making a significant impact on scientific research. The prevailing tendency of the field is to build quantum simulators that get closer to real-world systems of interest, in particular electronic materials. However,…

Consumption of magic states promotes the stabilizer model of computation to universal quantum computation. Here, we propose three different classical algorithms for simulating such universal quantum circuits, and characterize them by…

Quantum Physics · Physics 2021-03-23 James R. Seddon , Bartosz Regula , Hakop Pashayan , Yingkai Ouyang , Earl T. Campbell

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

Trotterization-based, iterative approaches to quantum simulation are restricted to simulation times less than the coherence time of the quantum computer, which limits their utility in the near term. Here, we present a hybrid…

We introduce the concept of embedding quantum simulators, a paradigm allowing the efficient quantum computation of a class of bipartite and multipartite entanglement monotones. It consists in the suitable encoding of a simulated quantum…

Quantum Physics · Physics 2015-06-16 R. Di Candia , B. Mejia , H. Castillo , J. S. Pedernales , J. Casanova , E. Solano

Trotter-Suzuki decompositions are frequently used in the quantum simulation of quantum chemistry. They transform the evolution operator into a form implementable on a quantum device, while incurring an error---the Trotter error. The Trotter…

Quantum Physics · Physics 2020-01-08 Andrew Tranter , Peter J. Love , Florian Mintert , Nathan Wiebe , Peter V. Coveney

Quantum simulation is a rapidly evolving tool with great potential for research at the frontiers of physics, and is particularly suited to be used in computationally intensive lattice simulations, such as problems with non-equilibrium. In…

Quantum Physics · Physics 2025-11-21 Jia-Qi Gong , Ji-Chong Yang
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